UCSF

ZINC05376912

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 25 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.62 10.79 -7.55 1 3 0 45 354.45 5
Mid Mid (pH 6-8) 6.13 10.7 -43.7 0 3 -1 44 353.442 6
Lo Low (pH 4.5-6) 6.13 11.17 -15.35 1 3 0 42 354.45 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )